N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide

C21H20N2O4 — CID 25163672

IUPACN-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide
SMILESC=CCN1C(=O)c2ccc(C(=O)N(C)CCOc3ccccc3)cc2C1=O
InChIInChI=1S/C21H20N2O4/c1-3-11-23-20(25)17-10-9-15(14-18(17)21(23)26)19(24)22(2)12-13-27-16-7-5-4-6-8-16/h3-10,14H,1,11-13H2,2H3
InChIKeyYLKGECNYUOXEPQ-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.62
Rot. Bonds7

About N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide

N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide (PubChem CID 25163672) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide
PubChem CID25163672
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide
SMILESC=CCN1C(=O)c2ccc(C(=O)N(C)CCOc3ccccc3)cc2C1=O
InChIInChI=1S/C21H20N2O4/c1-3-11-23-20(25)17-10-9-15(14-18(17)21(23)26)19(24)22(2)12-13-27-16-7-5-4-6-8-16/h3-10,14H,1,11-13H2,2H3
InChIKeyYLKGECNYUOXEPQ-UHFFFAOYSA-N
XLogP2.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybenzyl)phthalimide
CID 519849
2-(2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl)-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid
CID 448384
A-349821 free base
CID 9954017
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
CID 44275807
2-(3-Phenoxypropyl)isoindoline-1,3-dione
CID 249759
3-((1,3-Dioxoisoindolin-2-yl)methyl)-4-methoxybenzaldehyde
CID 818605
2-[2-(3-methylphenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 973136
2-(2-(4-Fluorophenoxy)ethyl)isoindoline-1,3-dione
CID 2230352
2-[2-Hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione
CID 2916180
2-(4-Methoxybenzyl)-1,3-dioxoisoindoline-5-carboxylic acid
CID 748433
Methyl 4-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxybenzoate
CID 728514
2-acetyl-4-methylphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 733522

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide?
The IUPAC name of N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide (CID 25163672) is N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide.
What is the SMILES notation for N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide?
The canonical SMILES for N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide is C=CCN1C(=O)c2ccc(C(=O)N(C)CCOc3ccccc3)cc2C1=O.
What is the InChIKey of N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide?
The InChIKey is YLKGECNYUOXEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-11-23-20(25)17-10-9-15(14-18(17)21(23)26)19(24)22(2)12-13-27-16-7-5-4-6-8-16/h3-10,14H,1,11-13H2,2H3.
What are the key properties of N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide?
N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-dioxo-N-(2-phenoxyethyl)-2-prop-2-enylisoindole-5-carboxamide is sourced from PubChem (CID 25163672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).